Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43120
Common Name:	Phensuximide
Systematic Name:	1-methyl-3-phenylpyrrolidine-2,5-dione
RefMet Name:	Phensuximide
Synonyms:	[PubChem Synonyms]
Exact Mass:	189.0790 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C11H11NO2
InChIKey:	WLWFNJKHKGIJNW-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyrrolidines [C0000218]
ClassyFire subclass:	Phenylpyrrolidines [C0002336]
ClassyFire direct parent:	Phenylpyrrolidines [C0002336]
MoNA MS spectra:	View MS spectra
SMILES:	CN1C(=O)CC(c2ccccc2)C1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6839
CHEBI ID:	149869
HMDB ID:	HMDB0014970
KEGG ID:	C07437
Chemspider ID:	6578
EPA CompTox DB:	DTXCID903460
Plant Metabolite Hub(Pmhub):	MS000021273

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y